SCHEMBL10044582

SCHEMBL10044582

C[C@H](Nc1nc(-c2ccncc2)ncc1F)C(=O)NCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 8/20 0.39
LATS1 O95835 6/20 0.39
LATS2 Q9NRM7 3/20 0.39
KDR P35968 5/20 0.37
TRPV3 Q8NET8 1/20 0.37
GABRA5 P31644 1/20 0.37
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
TBK1 Q9UHD2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10044584 0.89 USP1 (0.42) FGFR3KDRGABRA5JAK3JAK2
SCHEMBL10044596 0.89 USP1 (0.42) FGFR3KDRGABRA5JAK3JAK2
SCHEMBL10044581 0.87 FGFR3 (0.41) FGFR3KDRTBK1
SCHEMBL10044583 0.86 FGFR3 (0.39) FGFR3KDRTRPV3TBK1
SCHEMBL10044616 0.86 FGFR3 (0.39) FGFR3KDRTRPV3TBK1
SCHEMBL10044586 0.85 PI4KB (0.41) FGFR3KDRTBK1
SCHEMBL10044595 0.84 PTGES (0.40) FGFR3KDRGABRA5
SCHEMBL10044594 0.82 JAK3 (0.44) FGFR3KDRJAK3JAK2
SCHEMBL10044587 0.82 JAK3 (0.43) FGFR3KDRJAK3JAK2
SCHEMBL10044609 0.81 JAK3 (0.42) FGFR3KDRJAK3JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885LATS1 599/4885LATS2 655/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885LATS1 599/4885LATS2 655/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 FGFR3 574/4885LATS1 599/4885LATS2 655/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.